subroutine conv(ideter,deti,dethi) use iso_c_binding implicit none BEGIN_DOC ! this routine converts a detrminant in the old ! format into the new one and returns the determinant. END_DOC integer,INTENT(INOUT)::ideter(natomax) integer(C_SIZE_T),INTENT(INOUT)::deti integer(C_SIZE_T),INTENT(INOUT)::dethi integer::i deti=0 dethi=0 do i=1,natom if(ideter(natom-i+1).eq.2 .and. ideter(natom-i+1).ne.3)then deti=IBSET(deti,i-1) elseif(ideter(natom-i+1).eq.3)then dethi=IBSET(dethi,i-1) endif enddo end